1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[1-(2-thienylsulfonyl)isonipecotoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C20H22N2O5S2/c23-19(22-10-2-5-15-16(20(24)25)4-1-6-17(15)22)14-8-11-21(12-9-14)29(26,27)18-7-3-13-28-18/h1,3-4,6-7,13-14H,2,5,8-12H2,(H,24,25)